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219897-35-5 molecular structure
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1-[(R)-amino(phenyl)methyl]naphthalen-2-ol

ChemBase ID: 812277
Molecular Formular: C17H15NO
Molecular Mass: 249.3071
Monoisotopic Mass: 249.11536411
SMILES and InChIs

SMILES:
c1cc2c(cc1)ccc(c2[C@@H](c1ccccc1)N)O
Canonical SMILES:
Oc1ccc2c(c1[C@@H](c1ccccc1)N)cccc2
InChI:
InChI=1S/C17H15NO/c18-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)19/h1-11,17,19H,18H2/t17-/m1/s1
InChIKey:
PZMIGEOOGFFCNT-QGZVFWFLSA-N

Cite this record

CBID:812277 http://www.chembase.cn/molecule-812277.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
IUPAC Traditional name
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
Synonyms
(R)-(-)-1-(ALPHA-AMINOBENZYL)-2-NAPHTHOL
CAS Number
219897-35-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32160 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32160 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.013737  H Acceptors
H Donor LogD (pH = 5.5) 0.69547176 
LogD (pH = 7.4) 2.0045857  Log P 2.6314502 
Molar Refractivity 77.2453 cm3 Polarizability 31.537748 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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